Molecular Properties | |
SMILES: | O=C(Nc1c[n+]([O-])cc2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.27 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-11-07 |
Synthesis Location: | moonshot |
Shipped: | 2021-01-14 |
N oxide
quaternary nitrogen
N-Oxides
ALP-POS-ce760d3f-4
1.000
VLA-UCB-1dbca3b4-15
0.655
MAT-POS-f7918075-1
0.655
MAT-POS-b3e365b9-1
0.655
MAT-POS-b3e365b9-2
0.655
JOH-SUS-a69c159d-2
0.559
VLA-UCB-05e51b3f-18
0.553
FRA-DIA-e29753f2-1
0.553
NAU-LAT-b7d8c353-3
0.553
BEN-DND-b89db3f2-1
0.553
JAG-UCB-c61058a9-45
0.553
VLA-UCB-50c39ae8-11
0.553
ALF-EVA-5b152d2f-4
0.547
ALP-POS-ce760d3f-7
0.543
ALP-POS-696356e4-1
0.543
JOH-SUS-a69c159d-1
0.543
JOH-UNI-f51e3bbc-1
0.543
EDG-MED-5d232de5-2
0.543
EDG-MED-5d232de5-1
0.543
ADA-UCB-dc2b944c-12
0.543
ADA-UCB-dc2b944c-11
0.537
MAK-UNK-f481d203-1
0.533
MAK-UNK-f481d203-2
0.533
MAK-UNK-919546f0-1
0.533
BEN-DND-4f474d93-1
0.532
BEN-DND-4f474d93-3
0.532
ALP-POS-ce760d3f-2
0.532
JOH-SUS-a69c159d-4
0.531
JOH-UNI-1b27fa5e-1
0.531
ALF-EVA-5b152d2f-1
0.531
JOH-UNI-1b27fa5e-2
0.531
JOH-SUS-a69c159d-3
0.531
JAG-UCB-52b62a6f-13
0.531
MAK-UNK-8be7dca9-9
0.531
ADA-UCB-dc2b944c-8
0.531
JOH-UNI-f51e3bbc-3
0.526
BEN-DND-a7517465-1
0.526
BEN-DND-a7517465-7
0.526
ADA-UCB-dc2b944c-10
0.526
ADA-UCB-dc2b944c-9
0.526
BEN-DND-a7517465-2
0.521
JOH-UNI-f51e3bbc-2
0.520
BEN-DND-c852c98b-5
0.520
ERI-UCB-9c7ec71b-2
0.516
EDJ-MED-e9694d2b-1
0.516
LON-WEI-0a73fcb8-7
0.516
JOH-SUS-a69c159d-6
0.516
MAT-POS-b3e365b9-4
0.511
DAR-DIA-6a508060-6
0.511
BRU-CON-c4e3408a-1
0.511
JAN-GHE-f4ca5a00-13
0.511
MAT-POS-b3e365b9-3
0.511
BEN-DND-4f474d93-2
0.510
ALP-POS-ce760d3f-3
0.510
BEN-DND-c852c98b-4
0.510
WIL-UCB-7ba4ac3a-1
0.510
JOH-UNI-f51e3bbc-4
0.510
JAG-UCB-52b62a6f-6
0.505
BEN-DND-a7517465-3
0.505
BEN-DND-a7517465-5
0.505
MAK-UNK-8be7dca9-2
0.505
VLA-UCB-05e51b3f-20
0.500
VLA-UCB-50c39ae8-13
0.500
MAK-UNK-8be7dca9-5
0.500
BEN-DND-c852c98b-1
0.500
BEN-DND-a7517465-11
0.500
ALF-EVA-5b152d2f-2
0.500
ALF-EVA-5b152d2f-5
0.495
MAK-UNK-8be7dca9-6
0.495
NAU-LAT-b7d8c353-8
0.495
ALF-EVA-5b152d2f-7
0.495
MAK-UNK-8be7dca9-7
0.495
MAT-POS-11b63608-1
0.495
JAG-UCB-52b62a6f-17
0.495
JOH-UNI-1b27fa5e-6
0.495
ALF-EVA-5b152d2f-8
0.490
MAT-POS-f9802937-7
0.490
NAU-LAT-b7d8c353-5
0.490
BEN-DND-c852c98b-3
0.490
JOH-UNI-1b27fa5e-7
0.489
JAG-UCB-c61058a9-7
0.489
BEN-DND-c852c98b-7
0.485
ALF-EVA-ced740bd-1
0.485
JOH-UNI-1b27fa5e-3
0.485
EDJ-MED-fb4b7746-3
0.485
EDJ-MED-fb4b7746-2
0.485
EDG-MED-0e5afe9d-2
0.485
DAR-DIA-6a508060-8
0.485
RAL-THA-05e671eb-4
0.485
ADA-UCB-dc2b944c-7
0.485
VLA-UCB-53bdeed6-3
0.484
MAK-UNK-8be7dca9-8
0.480
ALF-EVA-ced740bd-2
0.480
BEN-DND-a7517465-6
0.480
JOH-UNI-1b27fa5e-4
0.480
JOH-SUS-a69c159d-5
0.480
ADA-UCB-b1b30a00-8
0.480
RAL-THA-05e671eb-6
0.480
BEN-DND-c852c98b-8
0.480
JOH-UNI-1b27fa5e-5
0.480